AN-648/40841313
TL;DR: AN-648/40841313 (CAS 401827-87-0) is a chemical compound with molecular formula C18H15NO5S and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate
Also Known As: AN-648/40841313, A3188/0135061, 2-ethoxy-4-[(3-methyl-5-oxo-4(5H)-isoxazolylidene)methyl]phenyl 2-thiophenecarboxylate, [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate, (E)-2-ethoxy-4-((3-methyl-5-oxoisoxazol-4(5H)-ylidene)methyl)phenyl thiophene-2-carboxylate
| Molecular Formula | C18H15NO5S |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 3.6821 |
| Topological Polar Surface Area | 74.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.0671 |
| Heavy Atoms | 25 |
| Complexity | 867.5965 |
Chemical Identifiers
| CAS Number | 401827-87-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=NOC2=O)C)OC(=O)C3=CC=CS3 |
Product Overview
AN-648/40841313 (CAS 401827-87-0), with molecular formula C18H15NO5S and molecular weight 357.07 g/mol. IUPAC: [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of AN-648/40841313
Property Insights of AN-648/40841313
The XLogP value of 3.6821 indicates that AN-648/40841313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/40841313. Following Lipinski's Rule of Five, AN-648/40841313 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-648/40841313?
The CAS number of AN-648/40841313 is 401827-87-0.
What is the molecular formula of AN-648/40841313?
The molecular formula of AN-648/40841313 is C18H15NO5S.
What is the molecular weight of AN-648/40841313?
The molecular weight of AN-648/40841313 is 357.07 g/mol.
Where can I buy AN-648/40841313?
You can request a quote for AN-648/40841313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/40841313?
Yes, KEHONG BIO provides custom synthesis services for AN-648/40841313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.